| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2004 | 10 | Yes |
Popular Name: 3-methyl-1H-indole 3-methyl-1H-indole
3-Methyl-1H-indole;3-Methylindole;3-MI;b-Methylindole;beta-Methylindole;Scatole;Skatol;Skatole
3-Methylindole; 3-methyl-4,5-benzopyrrole; Skatol; Skatole; beta-methylindole
3-Methylindole; 83-34-1; C08313; Skatole
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.54 | 5.21 | -4.96 | 1 | 1 | 0 | 16 | 131.178 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 141 / 10 | TCI |
| BP [°C] | 265 - 266 (p=755 torr) | Acros Organics |
| Boiling_Point | 265-268? | Alfa-Aesar |
| Boiling_Point | 265-268° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| MP | 92-97 °C(lit.) | Indofine |
| MP | 94 - 96 | Enamine Building Blocks |
| Melting_Point | 94-97? | Alfa-Aesar |
| Melting_Point | 94-97° | Alfa-Aesar |
| MP | 94...96 | Enamine Building Blocks |
| purity | 95 | Enamine Building Blocks |
| Mp [°C] | 95 - 98 | Acros Organics |
| Purity | 95+% | Matrix Scientific |
| MP | 96 | TCI |
| Purity | 97% | Fluorochem |
| Purity | 99% | APIChem |
| UniProt Database Links | CP2F1_HUMAN; CP2F3_CAPHI | ChEBI |
| Patent Database Links | EP1325911; WO2005039546; WO2006018850 | ChEBI |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| therap | insect attractant | MicroSource Spectrum |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| Reactome Database Links | REACT_13671 | ChEBI |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
| Description | Species |
|---|---|
| Xenobiotics |
